AG00BCMT

30186-39-1 | 1-Phenyl-1H-pyrrole-2-carbaldehyde

AG00BCMT

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CAS Number	30186-39-1
Catalog Number	AG00BCMT(AGN-PC-0JY931)
Chemical Name	1-Phenyl-1H-pyrrole-2-carbaldehyde
IUPAC Name	1-phenylpyrrole-2-carbaldehyde
InChI	InChI=1S/C11H9NO/c13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h1-9H
InChI Key	LXEQKKWJDGVPRW-UHFFFAOYSA-N
MDL Number	MFCD00457595
Molecular Formula	C11H9NO
Molecular Weight	171.1953
SMILES	O=CC1=CC=CN1C2=CC=CC=C2
Synonyms	1-phenyl-1H-pyrrole-2-carbaldehyde, 30186-39-1, 1-phenylpyrrole-2-carbaldehyde, 1H-Pyrrole-2-carboxaldehyde, 1-phenyl-, SMR000387045, AC1LINQ0, N-phenylpyrrole-2-aldehyde, MLS000768696, MLS001049034, SCHEMBL1127259, CHEMBL1425138, CTK1C0560, DTXSID70359052, LXEQKKWJDGVPRW-UHFFFAOYSA-N, HMS2269B21, SP577, ZINC528151, BBL022091, MFCD00457595, STK864703, AKOS000113752, AS-5602, MCULE-8649864068, KS-00003H41, AJ-23335, AB0003108, BB 0249271, K-7264, 1-Phenyl-1H-pyrrole-2-carbaldehyde, AldrichCPR, CID934729, ZINC00528151, (2-phenylethyl)(3-pyridinylmethyl)amine hydrochloride,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.068g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.199g/mol
Monoisotopic Mass	171.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	22A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number