Cas no 56857-08-0 (1H-Pyrrole-1-carboxylic acid, phenylmethyl ester)
56857-08-0 structure
Product Name:1H-Pyrrole-1-carboxylic acid, phenylmethyl ester
CAS No:56857-08-0
MF:C12H11NO2
MW:201.221243143082
CID:347654
Update Time:2024-01-28
1H-Pyrrole-1-carboxylic acid, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-1-carboxylic acid, phenylmethyl ester
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- Inchi： 1S/C12H11NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-9H,10H2
- InChI Key： PCEHCHSVPXQJFP-UHFFFAOYSA-N
- SMILES： N1(C(OCC2=CC=CC=C2)=O)C=CC=C1
Computed Properties
- Exact Mass: 201.07903
- Monoisotopic Mass: 201.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 206
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- PSA: 31.23
1H-Pyrrole-1-carboxylic acid, phenylmethyl ester Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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